N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide

C16H16BrNOS — CID 16528206

IUPACN-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H16BrNOS/c1-11-3-6-14(7-4-11)20-10-16(19)18-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKOWXBNJSQJVRKF-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.80
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 16528206) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID16528206
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H16BrNOS/c1-11-3-6-14(7-4-11)20-10-16(19)18-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKOWXBNJSQJVRKF-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055699
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 7924484
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 106679065
N-(4-bromo-2-methylphenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]acetamide
CID 2606649
N'-(4-bromo-2-methylphenyl)-N-[(4-methylphenyl)methyl]propanediamide
CID 108945836
N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47263024
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 7964866
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
N-(4-bromo-2-methylphenyl)-2-[[4-methyl-5-[(4-methylphenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126363536

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 16528206) is N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is KOWXBNJSQJVRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-11-3-6-14(7-4-11)20-10-16(19)18-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 350.28 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 16528206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).